Dear all
i want to convert the pseudopotential from abinit form to pwscf form. i used
the executable fhi2upf.x. it asked (wavefunction 1,2,3 and 4) label and
occupancy
print '("Wavefunction # ",i1,": label, occupancy > ",$)', i
read (5,*) els(i), oc(i)
nns (i) = 0
lchi(i) = i-1
rcut(i) = 0.0d0
rcutus(i)= 0.0d0
epseu(i) = 0.0d0
i compared with the available UPF format and it should be nl and occupancy but
how to feed it???????
with regards
K. Ramesh Kumar
Research scholar
Department of physics
IIT Madras
Chennai-600036
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